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(3aR*,9S*,9aR*)-9-Hydroxy-9-phenyl-3a,4,9,9a-tetrahydronaphtho[2,3-c]furan-1(3H)-one
SpectraBase Compound ID HHj5nBWwM8b
InChI InChI=1S/C18H16O3/c19-17-16-13(11-21-17)10-12-6-4-5-9-15(12)18(16,20)14-7-2-1-3-8-14/h1-9,13,16,20H,10-11H2/t13-,16-,18-/m0/s1
InChIKey QVFLPUAVVAQFML-OWQGQXMQSA-N
Mol Weight 280.32 g/mol
Molecular Formula C18H16O3
Exact Mass 280.109944 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1oJLFVUoD7U
Name (3ar*,9S*,9ar*)-9-Hydroxy-9-phenyl-3A,4,9,9A-tetrahydronaphtho[2,3-C]furan-1(3H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 280.109944372 u
Formula C18H16O3
InChI InChI=1S/C18H16O3/c19-17-16-13(11-21-17)10-12-6-4-5-9-15(12)18(16,20)14-7-2-1-3-8-14/h1-9,13,16,20H,10-11H2/t13-,16-,18-/m0/s1
InChIKey QVFLPUAVVAQFML-OWQGQXMQSA-N
SMILES [C@]1([C@]2([C@@](COC2=O)([H])CC2=C1C=CC=C2)[H])(C1=CC=CC=C1)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.927402